2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine

C13H16N2OS — CID 79168987

IUPAC2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc(OCc2ccsc2)c(CCN)n1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-13(12(15-10)4-6-14)16-8-11-5-7-17-9-11/h2-3,5,7,9H,4,6,8,14H2,1H3
InChIKeyHQSSKYASPMRPRS-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.53
Rot. Bonds5

About 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine

2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine (PubChem CID 79168987) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
PubChem CID79168987
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
SMILESCc1ccc(OCc2ccsc2)c(CCN)n1
InChIInChI=1S/C13H16N2OS/c1-10-2-3-13(12(15-10)4-6-14)16-8-11-5-7-17-9-11/h2-3,5,7,9H,4,6,8,14H2,1H3
InChIKeyHQSSKYASPMRPRS-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79158981
2-[6-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 79168989
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 107700478

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine (CID 79168987) is 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine is Cc1ccc(OCc2ccsc2)c(CCN)n1.
What is the InChIKey of 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine?
The InChIKey is HQSSKYASPMRPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10-2-3-13(12(15-10)4-6-14)16-8-11-5-7-17-9-11/h2-3,5,7,9H,4,6,8,14H2,1H3.
What are the key properties of 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine?
2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 79168987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).